SCHEMBL12922475

SCHEMBL12922475

Nc1nnc(-c2c[nH]c3ccccc23)c(N)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 3/20 0.56
▸ CDK5R1 Q15078 3/20 0.56
▸ CLK1 P49759 2/20 0.56
▸ MEN1 O00255 6/20 0.54
▸ KMT2A Q03164 6/20 0.54
▸ MAPT P10636 4/20 0.54
▸ GAA P10253 1/20 0.54
▸ DHFR P00374 2/20 0.53
▸ GSK3B P49841 1/20 0.52
▸ DYRK1A Q13627 1/20 0.52
▸ MAP3K14 Q99558 1/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ PPARG P37231 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL978392 0.73 CYP2D6 (0.58) MAPTDHFRALDH1A1SMN1; SMN2HSD17B10
SCHEMBL17150733 0.72 CDK5 (0.71) CDK5CDK5R1CLK1GSK3BDYRK1A
SCHEMBL20691183 0.72 CLK1 (0.71) CDK5CDK5R1CLK1MEN1KMT2A
SCHEMBL29488123 0.72 CLK1 (0.71) CDK5CDK5R1CLK1MEN1KMT2A
SCHEMBL16075920 0.72 CLK1 (0.71) CDK5CDK5R1CLK1MEN1KMT2A
SCHEMBL24839575 0.72 CLK1 (0.71) CDK5CDK5R1CLK1MEN1KMT2A
SCHEMBL743366 0.71 CSNK1A1 (0.56) CDK5CDK5R1CLK1GAATDP1
SCHEMBL22969381 0.71 MEN1 (0.53) CDK5CDK5R1CLK1MEN1KMT2A
SCHEMBL29495871 0.71 MEN1 (0.53) CDK5CDK5R1CLK1MEN1KMT2A
SCHEMBL2205723 0.71 MEN1 (0.54) CDK5CDK5R1CLK1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9862691-B2 Cyclic triazo and diazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2018-01-09 — — US disclosed
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2016-10-27 — — US disclosed
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2016-10-27 — — US disclosed
US-9422253-B2 Cyclic triazo and diazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2016-08-23 — — US disclosed
US-9422253-B2 Cyclic triazo and diazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2016-08-23 — — US disclosed
EP-3002280-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS University of Greenwich (GB) 2016-04-06 — — EP disclosed
US-20140155403-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2014-06-05 — — US disclosed
US-20140155403-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2014-06-05 — — US disclosed
US-8691818-B2 Cyclic triazo and diazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2014-04-08 — — US disclosed
US-8691818-B2 Cyclic triazo and diazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2014-04-08 — — US disclosed
US-20110009413-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2011-01-13 — — US disclosed
US-20110009413-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2011-01-13 — — US disclosed
WO-2009090431-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2009-07-23 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140155403-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS SCN1A, SCN1B, SCN3A CDK5 3428/4885CDK5R1 1884/4885CLK1 2109/4885
US-20110009413-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS CACNA1E, SCN2B, SCN3A CDK5 2193/4885CDK5R1 1972/4885CLK1 4316/4885
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS SCN1A, SCN1B, SCN3A CDK5 3601/4885CDK5R1 2056/4885CLK1 2117/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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